7O0O

Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem

Summary for 7O0O

Entry DOI	10.2210/pdb7o0o/pdb
Descriptor	Metallo-beta-lactamase L1, ZINC ION, (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, ... (5 entities in total)
Functional Keywords	antibiotic, ligand, metalloprotein, lactamase, carbapenem, antimicrobial protein
Biological source	Stenotrophomonas maltophilia (Pseudomonas maltophilia)
Total number of polymer chains	1
Total formula weight	29776.50
Authors	Hinchliffe, P.,Spencer, J. (deposition date: 2021-03-26, release date: 2021-10-13, Last modification date: 2024-01-31)
Primary citation	Twidale, R.M.,Hinchliffe, P.,Spencer, J.,Mulholland, A.J. Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form. J.Chem.Inf.Model., 61:5988-5999, 2021 Cited by PubMed: 34637298 DOI: 10.1021/acs.jcim.1c00663 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.45 Å)

Structure validation